methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate

Base Information

• Chemical Name: methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate
• CAS No.: 254895-41-5
• Molecular Formula: C₁₂H₁₃F₃O₂
• Molecular Weight: 246.229
• Mol file: 254895-41-5.mol

Synonyms:methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate

Chemical Property of methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate

There total 4 articles about methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + 3-chlorotrifluoromethylbenzene (98-15-7) → methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate (254895-41-5)

Guidance literature:

Methyl isobutyrate; With sodium hexamethyldisilazane; In toluene; at 20 ℃; for 0.166667h; Inert atmosphere;

3-chlorotrifluoromethylbenzene; With tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol800258u

Reference yield: 24.0%

[tungsten(trispyrazoylborate)(NO)(tri(n-butyl)phosphine)(η2-3,4-(methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)-propanoate))] → methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate (254895-41-5)

Guidance literature:

With nitrosyl hexafluorophosphate; In chloroform-d1; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.0c08032

Reference yield:

α-methyl-3-(trifluoromethyl)benzeneacetic acid methyl ester → methyl-2-methyl-2-(5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl)propanoate (254895-41-5)

Guidance literature:

α-methyl-3-(trifluoromethyl)benzeneacetic acid methyl ester; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

methyl halide; In tetrahydrofuran; at -78 ℃; for 3h;

DOI:10.1021/acs.organomet.6b00529

upstream raw materials:

(3-trifluoromethyl-phenyl)-acetic acid methyl ester

methyl iodide

Methyl isobutyrate

3-chlorotrifluoromethylbenzene

Downstream raw materials:

2-methyl-2-(3-(trifluoromethyl)phenyl)propanoic acid chloride

2-m-Trifluoromethylphenyl-2-methylpropanal

3-trifluormethylisopropylbenzene

2-(m-Trifluoromethylphenyl)-2-methyl-propan-1-ol